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methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5YvsBm9FfTy
InChI InChI=1S/C21H21Br2NO3S/c1-20(11-21(20,22)23)19(26)24-17-16(18(25)27-2)14-9-8-13(10-15(14)28-17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,24,26)
InChIKey HGGZCJQTHQVARH-UHFFFAOYSA-N
Mol Weight 527.27 g/mol
Molecular Formula C21H21Br2NO3S
Exact Mass 524.960891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EkMzPqy1KpZ
Name methyl 2-{[(2,2-dibromo-1-methylcyclopropyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21Br2NO3S/c1-20(11-21(20,22)23)19(26)24-17-16(18(25)27-2)14-9-8-13(10-15(14)28-17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,24,26)
InChIKey HGGZCJQTHQVARH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11045
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9083214; UBI_ID: UBI-011048
Temperature 308 °C